methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate

C20H18N4O2 — CID 155936936

IUPACmethyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-n3nc(C)cc3C)c(-c3ccccc3)nc2c1
InChIInChI=1S/C20H18N4O2/c1-13-11-14(2)24(22-13)19-18(15-7-5-4-6-8-15)21-17-12-16(20(25)26-3)9-10-23(17)19/h4-12H,1-3H3
InChIKeyZLSNRQMLTRQGLL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.59
Rot. Bonds3

About methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate

methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 155936936) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID155936936
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Namemethyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-n3nc(C)cc3C)c(-c3ccccc3)nc2c1
InChIInChI=1S/C20H18N4O2/c1-13-11-14(2)24(22-13)19-18(15-7-5-4-6-8-15)21-17-12-16(20(25)26-3)9-10-23(17)19/h4-12H,1-3H3
InChIKeyZLSNRQMLTRQGLL-UHFFFAOYSA-N
XLogP3.59
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate (CID 155936936) is methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-n3nc(C)cc3C)c(-c3ccccc3)nc2c1.
What is the InChIKey of methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is ZLSNRQMLTRQGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-11-14(2)24(22-13)19-18(15-7-5-4-6-8-15)21-17-12-16(20(25)26-3)9-10-23(17)19/h4-12H,1-3H3.
What are the key properties of methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethylpyrazol-1-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 155936936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).